SCHEMBL5836732

SCHEMBL5836732

CC(C)c1cnc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.79
CCNE1 P24864 6/20 0.79
CDK5 Q00535 6/20 0.79
ALDH1A1 P00352 2/20 0.56
CCNT1 O60563 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56
MNAT1 P51948 1/20 0.56
CDK5R1 Q15078 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDR P35968 1/20 0.53
SCD O00767 1/20 0.52
GRM5 P41594 2/20 0.47
CSNK2A2 P19784 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5836102 0.88 CDK2 (1.00) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5835810 0.86 CDK2 (0.85) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5836105 0.85 CDK2 (0.70) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6176147 0.84 CDK2 (0.82) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5836464 0.83 CCNE1 (0.79) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5836120 0.82 CDK2 (0.77) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5835261 0.82 CDK2 (0.77) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5835791 0.82 CDK2 (0.77) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5835407 0.81 CCNE1 (0.72) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5836084 0.81 CDK2 (0.75) CDK2CCNE1CDK5ALDH1A1CCNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US claimed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP claimed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP disclosed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP disclosed